ethyl 2-[[3,5-bis(fluoranyl)-4-piperidin-4-yloxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[[3,5-bis(fluoranyl)-4-piperidin-4-yloxy-phenyl]-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]sulfamoyl]ethanoate dihydrochloride Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3,5-difluoro-4-(4-piperidyloxy)phenyl]sulfamoyl]acetate dihydrochloride CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3,5-difluoro-4-(4-piperidinyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-(3,5-difluoro-4-piperidin-4-yloxyphenyl)sulfamoyl]acetate dihydrochloride Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3,5-difluoro-4-(4-piperidyloxy)phenyl]sulfamoyl]acetic acid ethyl ester dihydrochloride Formula: C25H32Cl2F2N4O5S MolecularWeight: 609.513186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C(=C2)F)OC3CCNCC3)F.Cl.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C(=C2)F)OC3CCNCC3)F.Cl.Cl

InChI

InChI=1S/C25H30F2N4O5S.2ClH/c1-2-35-23(32)16-37(33,34)31(12-4-6-17-5-3-7-18(13-17)25(28)29)19-14-21(26)24(22(27)15-19)36-20-8-10-30-11-9-20;;/h3-7,13-15,20,30H,2,8-12,16H2,1H3,(H3,28,29);2*1H/b6-4+;;